>compound Rosmarinic acid_Rosmarinic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C18H16O8
#smiles OC(=O)C(OC(=O)C=Cc(c2)cc(O)c(O)c2)Cc(c1)cc(O)c(O)c1
#RECORD LC-ESI-QTOF_train_data/PR100686.txt
>charge -1
>ionization [M-H]-
>parentmass 359.07671

>collision 5-60
72.9944 443.1
123.0454 359.5
132.0219 149.8
133.0297 873.4
135.0452 720.8
161.0243 2850.0
179.0356 500.0
197.0456 768.7
359.0767 528.7

